正丙基硫脲 | 927-67-3
中文名称:
正丙基硫脲
英文名称:
Propylthiourea
CAS No.:
927-67-3
分子式:
C4 H1 0 N2 S
分子量:
118.200599193573
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:正丙基硫脲结构式
名称和标识符
MDL
MFCD00041195
InChIKey
UHGKYJXJYJWDAM-UHFFFAOYSA-N
Inchi
1S/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
SMILES
S=C(NCCC)N
BRN
1743064
别名信息
- 中文别名 -
正丙基硫脲
丙基硫脲
1-丙基-2-硫代脲
Propylthiourea,certified 标准品
丙硫脲
- 英文别名 -
n-Propylthiourea
1-Propyl-2-thiourea
Propylthiourea
N-Propylthiourea (ACI)
Thiourea, propyl- (9CI)
Urea, 1-propyl-2-thio- (6CI, 7CI, 8CI)
物化性质
实验特性
LogP
1.32080
PSA
70.14000
折射率
1.537
沸点
101°C 1mm
熔点
120 °C
闪点
63.9°C
颜色与性状
未确定
溶解性
未确定
密度
1.054
计算特性
精确分子量
118.05600
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
3
同位素质量
118.056
重原子数量
7
复杂度
62.7
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
0.5
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
70.1A^2
海关数据
海关编码
2930909090
海关数据
中国海关编码:
2930909090
概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
相关文献
1.
Reactions of halogens with Pt(ii) complexes of N-alkyl- and N,N-dialkyl-N′-benzoylthioureas: oxidative addition and formation of an I2
inclusion compound
Arjan N. Westra,Susan A. Bourne,Catharine Esterhuysen,Klaus R. Koch inclusion compound. Arjan N. Westra Susan A. Bourne Catharine Esterhuysen Klaus R. Koch Dalton Trans. 2005 2162
2.
Dalton communications. Intramolecular hydrogen-bond controlled unidentate co-ordination of potentially chelating N-acyl-N′-alkylthioureas: crystal structure of cis-bis(N-benzoyl-N′-propylthiourea) dichloroplatinum(II)
Susan Bourne,Klaus R. Koch J. Chem. Soc. Dalton Trans. 1993 2071
3.
N,N′-Disubstituted thiourea and urea derivatives: design, synthesis, docking studies and biological evaluation against nitric oxide synthase
Mariem Chayah,M. Encarnación Camacho,M. Dora Carrión,Miguel A. Gallo,Miguel Romero,Juan Duarte Med. Chem. Commun. 2016 7 667
4.
Self-aggregation mechanisms of N-alkyl derivatives of urea and thiourea
Monika Obrzud,Maria Rospenk,Aleksander Koll Phys. Chem. Chem. Phys. 2014 16 3209
5.
Platinum(II) and palladium(II) complexes of N-benzoyl-N?′-propylthiourea (H2L): synthesis and geometric isomer distribution of [M(H2L-S?)2X2] (M?=?PtII or PdII; X?=?Cl–, Br– or I–); crystal structure of trans-[Pd(H2L-S?)2Br2]
Klaus R. Koch,Yali Wang,Anita Coetzee J. Chem. Soc. Dalton Trans. 1999 1013
6.
1-Allyl-3-propylthiourea modified mesoporous silica for mercury removal
Valentyn Antochshuk,Mietek Jaroniec Chem. Commun. 2002 258
7.
Chiral and achiral platinum(II) complexes for potential use as chemotherapeutic agents: crystal and molecular structures of cis-[Pt(L1)2] and [Pt(L1)Cl(MPSO)] [HL1?=?N,N-diethyl-N?′-benzoylthiourea]
Cheryl Sacht,Michael S. Datt,Stefanus Otto,Andreas Roodt J. Chem. Soc. Dalton Trans. 2000 727
8.
Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU
Rei Saito,Naohiro Uemura,Hiroki Ishikawa,Akina Magara,Yasushi Yoshida,Takashi Mino,Yoshio Kasashima,Masami Sakamoto Org. Biomol. Chem. 2018 16 7910
9.
Hydrogen-bond forming ionophore for highly efficient transport of phosphate anions across the nitrobenzene–water interface
Seiichi Nishizawa,Tomoyuki Yokobori,Ryo Kato,Keitaro Yoshimoto,Tomoyuki Kamaishi,Norio Teramae Analyst 2003 128 663
10.
Hydrogen-bond forming ionophore for highly efficient transport of phosphate anions across the nitrobenzene–water interface
Seiichi Nishizawa,Tomoyuki Yokobori,Ryo Kato,Keitaro Yoshimoto,Tomoyuki Kamaishi,Norio Teramae Analyst 2003 128 663
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