基本信息
- CAS
101667-97-4- 标准SMILES
Cc1c(C(=O)O)sc2nc[nH]c(=O)c12- InChIKey
CYNGLBSDKJIAOD-UHFFFAOYSA-N- 分子式
- C8H6N2O3S
- 平均分子量
- 210.21 g/mol
- 单同位素质量
- 210.00991305
名称与标识
- 首选名称
- 5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- 中文名
- 5-甲基-4-氧代-3,4-二氢-噻吩并[2,3-D]嘧啶-6-羧酸
- 英文名
- 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
- 分子式
- C8H6N2O3S
- 分子量
- 210.21
名称与别名
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylic acidRefChem:537147675-249-7101667-97-45-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acidMFCD004636205-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acidCHEMBL1965658Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-
展开更多名称
5-甲基-4-氧代-3H,4H-噻吩并[2,3-D]嘧啶-6-羧酸5-甲基-4-氧-3,4-二氢-噻吩并[2,3-D]嘧啶-6-甲酸5-甲基-4-氧代-3,4-二氢噻吩并[2,3-D]嘧啶-6-甲酸5-甲基-4-氧代-3,4-二氢-噻吩并[2,3-D]嘧啶-6-羧酸5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyriMidine-6-carboxylic5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
CCG-125304F3250-06125-methyl-3,4-dihydrothieno[2,3-d]pyrimid-4-one-6-carboxylic acidNSC723454TimTec1_008104SCHEMBL263739SCHEMBL30987690DTXSID50328084
性质
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 107 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 318
物理化学性质
- 熔点
- 300 °C · 300 °C(Solv: 1,4-dioxane (123-91-1))
- 沸点
- 571.8 · 571.8±50.0 °C(Predicted)
- 密度
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 酸度系数(pKa)
- 3.72 · 3.72±0.20(Predicted)
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Hazard Classes and CategoriesAcute Tox. 4 (50%)
安全数据
- 危险等级
- IRRITANT
- 安全说明
- 26-36
- 海关编码
- 29335990
- 危险类别码
- 36/37/38
化学与工业
供应商10 家
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
相关反应
10 条
化合物笔记
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